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Succinimide
CAS: 123-56-8 | C4H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-56-8
Molecular Formula:
C4H5NO2
Molecular Weight:
99.089 g/mol
Names and Synonyms:
Succinimide
NSC 49152
NSC 13114
NSC 11204
Lubrizol 6406
Succinic acid imide
2,5-Dioxopyrrolidine
Succinic imide
2,5-Diketopyrrolidine
Butanimide
Succinimide
2,5-Pyrrolidinedione
Identifiers:
SMILES:
O=C1CCC(O)=N1
InChI:
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.089 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.0320284 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.66 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.26330000000000003 | RDKit |
| molecular_mass | 99.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Succinimide None | Legacy Database |
| cas-boiling-point | 288 °C None | Legacy Database |
| cas-canonical-smile | O=C1NC(=O)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=KZNICNPSHKQLFF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 126.5 °C None | Legacy Database |
| cas-name | Succinimide None | Legacy Database |
| wikipedia-name | Succinimide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.304799999999993 | RDKit |
